ATOMS |
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| ATOMS {KIND1} {KIND2}
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| Defines the atomic kind involved in the generic potential
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| This required keyword expects precisely 2 words |
FUNCTION |
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| FUNCTION a*EXP(-b*x^2)/x+D*log10(x)
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| Specifies the functional form in mathematical notation.
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| This required keyword expects a string |
VARIABLES |
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| VARIABLES x
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| Defines the variable of the functional form.
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| This required keyword expects a list of words |
PARAMETERS |
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| PARAMETERS a b D
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| Defines the parameters of the functional form
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| This required keyword expects a list of words, and may repeat |
VALUES |
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| VALUES
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| Defines the values of parameter of the functional form
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| This required keyword expects a list of reals, and may repeat. Default unit: [internal_cp2k]. |
RCUT |
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| RCUT {real}
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| Defines the cutoff parameter of the generic potential
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| This optional keyword expects a real. Default unit: [angstrom], default value: 1.0000000000000000E+01
angstrom |
RMIN |
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| RMIN {real}
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| Defines the lower bound of the potential. If not set the range is the full range generate by the spline
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| This required keyword expects a real. Default unit: [angstrom]. |
RMAX |
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| RMAX {real}
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| Defines the upper bound of the potential. If not set the range is the full range generate by the spline
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| This required keyword expects a real. Default unit: [angstrom]. |